Summary

IMPPAT Phytochemical identifier: IMPHY015728

Phytochemical name: Pentafluoropropionic acid, hexadecyl ester

Synonymous chemical names:
hexadecyl ester pentafluoropropionic acid

External chemical identifiers:
CID:525401

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCOC(=O)C(C(F)(F)F)(F)F

InChI:
InChI=1S/C19H33F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-17(25)18(20,21)19(22,23)24/h2-16H2,1H3

InChIKey:
MKXNHVLXIYBJIK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCOC=O)CCF)F)F))F)F

Functional groups:
CF, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Alkyl halides

ClassyFire Subclass: Alkyl fluorides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.13

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Chemical structure download